6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one

C20H25N3O4 — CID 7671838

IUPAC6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCC(C)CC3)n2)c1
InChIInChI=1S/C20H25N3O4/c1-14-8-10-22(11-9-14)20(25)13-23-19(24)7-5-17(21-23)16-12-15(26-2)4-6-18(16)27-3/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyJCMCBSXUGIAALH-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.19
Rot. Bonds5

About 6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one

6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 7671838) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID7671838
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCOc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCC(C)CC3)n2)c1
InChIInChI=1S/C20H25N3O4/c1-14-8-10-22(11-9-14)20(25)13-23-19(24)7-5-17(21-23)16-12-15(26-2)4-6-18(16)27-3/h4-7,12,14H,8-11,13H2,1-3H3
InChIKeyJCMCBSXUGIAALH-UHFFFAOYSA-N
XLogP2.19
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethoxyphenyl)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 7671840
6-(2,5-dimethoxyphenyl)-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 121052184
6-(2,4-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7666598
2-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 121052281
1-[2-[3-(2-fluoro-4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-4-carboxylic acid
CID 51053300
6-(2,4-dimethoxyphenyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 16811039
N,N-dibenzyl-2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121052217
6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7664527
2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671786
benzyl 2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetate
CID 7671802
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671843
2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-fluoro-2-methoxyphenyl)pyridazin-3-one
CID 52901384

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one (CID 7671838) is 6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one is COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCC(C)CC3)n2)c1.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is JCMCBSXUGIAALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14-8-10-22(11-9-14)20(25)13-23-19(24)7-5-17(21-23)16-12-15(26-2)4-6-18(16)27-3/h4-7,12,14H,8-11,13H2,1-3H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 371.44 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 7671838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).